Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study

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	Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study; Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study
	G. Y. Gao; K. L. Yao; Z. L. Liu; Y. L. Li; J. L. Jiang; Y. C. Li
	2006 ; 2006
发表期刊	Physica B-Condensed Matter ; Physica B-Condensed Matter
ISSN	0921-4526 ; 0921-4526
卷号	382 期号:1-2 页码:14-16
摘要	Using the first-principles plane-wave pseudopotential method, the electronic structure and the ferromagnetism of Cr-doped rutile TiO2 have been investigated. We find that the Cr-doped rutile TiO2 shows half-metallic behavior in both generalized gradient approximation and local density approximation for the exchange-correlation potential. The half-metallicity originates from the hybridization of Cr 3d states and nearest-neighboring O 2p, states. It may be useful in semiconductor spintronics and other applications. (c) 2006 Elsevier B.V. All rights reserved.; Using the first-principles plane-wave pseudopotential method, the electronic structure and the ferromagnetism of Cr-doped rutile TiO2 have been investigated. We find that the Cr-doped rutile TiO2 shows half-metallic behavior in both generalized gradient approximation and local density approximation for the exchange-correlation potential. The half-metallicity originates from the hybridization of Cr 3d states and nearest-neighboring O 2p, states. It may be useful in semiconductor spintronics and other applications. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;gao, gy (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;guoying_gao@163.com ; huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;gao, gy (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;guoying_gao@163.com
关键词	Half-metallic Ferromagnetism Half-metallic Ferromagnetism Diluted Magnetic Semiconductor Diluted Magnetic Semiconductor First-principles Calculations First-principles Calculations Room-temperature Room-temperature Dioxide Dioxide Anatase Anatase
URL	查看原文 ; 查看原文
WOS记录号	WOS:000238780100003 ; WOS:000238780100003
引用统计	被引频次：39[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34212
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	G. Y. Gao,K. L. Yao,Z. L. Liu,et al. Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study, Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study[J]. Physica B-Condensed Matter, Physica B-Condensed Matter,2006, 2006,382, 382(1-2):14-16, 14-16.
APA	G. Y. Gao,K. L. Yao,Z. L. Liu,Y. L. Li,J. L. Jiang,&Y. C. Li.(2006).Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study.Physica B-Condensed Matter,382(1-2),14-16.
MLA	G. Y. Gao,et al."Half-metallic ferromagnetism of Cr-doped rutile TiO2: A first-principles pseudopotential study".Physica B-Condensed Matter 382.1-2(2006):14-16.